LGPS85 -OEChem-05032300492D 78 82 0 1 0 0 0 0 0999 V2000 9.7942 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7503 -1.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7503 0.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5263 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6564 -0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6564 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0123 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7723 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8655 -1.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2673 -0.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2673 0.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8655 0.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 16 1 0 0 0 0 2 36 1 0 0 0 0 3 26 1 0 0 0 0 3 34 1 0 0 0 0 4 30 1 0 0 0 0 4 35 1 0 0 0 0 5 33 1 0 0 0 0 5 75 1 0 0 0 0 6 37 1 0 0 0 0 6 76 1 0 0 0 0 7 37 2 0 0 0 0 8 14 1 0 0 0 0 22 8 1 6 0 0 0 8 52 1 0 0 0 0 9 44 3 0 0 0 0 10 14 1 0 0 0 0 10 16 2 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 12 18 1 0 0 0 0 12 23 1 0 0 0 0 13 19 1 0 0 0 0 13 24 2 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 0 0 0 0 16 21 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 25 2 0 0 0 0 19 28 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 33 1 0 0 0 0 22 37 1 0 0 0 0 22 51 1 0 0 0 0 23 29 2 0 0 0 0 23 53 1 0 0 0 0 24 29 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 30 2 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 32 2 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 30 32 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 35 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 38 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 73 1 0 0 0 0 40 42 2 0 0 0 0 40 74 1 0 0 0 0 41 43 2 0 0 0 0 41 44 1 0 0 0 0 42 43 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 M END $$$$